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1H-1,2,3-triazole-4-carboxamide, 1-(4-fluorophenyl)-5-methyl-N-[4-(4-methyl-1-piperazinyl)phenyl]-
SpectraBase Compound ID 5SgTVtZyipb
InChI InChI=1S/C21H23FN6O/c1-15-20(24-25-28(15)19-7-3-16(22)4-8-19)21(29)23-17-5-9-18(10-6-17)27-13-11-26(2)12-14-27/h3-10H,11-14H2,1-2H3,(H,23,29)
InChIKey FBLBMFGSSLYNBL-UHFFFAOYSA-N
Mol Weight 394.45 g/mol
Molecular Formula C21H23FN6O
Exact Mass 394.191738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RihUPB184V
Name 1H-1,2,3-Triazole-4-carboxamide, 1-(4-fluorophenyl)-5-methyl-N-[4-(4-methyl-1-piperazinyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.191737547 u
Formula C21H23FN6O
InChI InChI=1S/C21H23FN6O/c1-15-20(24-25-28(15)19-7-3-16(22)4-8-19)21(29)23-17-5-9-18(10-6-17)27-13-11-26(2)12-14-27/h3-10H,11-14H2,1-2H3,(H,23,29)
InChIKey FBLBMFGSSLYNBL-UHFFFAOYSA-N
Molecular Weight 394.454 g/mol
SMILES N(C(C=1N=NN(C1C)C=1C=CC(=CC1)F)=O)C=1C=CC(N2CCN(CC2)C)=CC1